CID 2414087

2-chloro-n-{[(2-methylphenyl)carbamoyl]methyl}-n-propylacetamide

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCl
InChI
InChI=1S/C14H19ClN2O2/c1-3-8-17(14(19)9-15)10-13(18)16-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKey
IOXPLAHNJGONKH-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 166.6
[M+Na]+ 305.102718 172.1
[M-H]- 281.106224 171.0
[M+NH4]+ 300.147323 183.4
[M+K]+ 321.076658 169.1
[M+H-H2O]+ 265.110760 160.1
[M+HCOO]- 327.111701 186.4
[M+CH3COO]- 341.127351 207.2
[M+Na-2H]- 303.088166 168.2
[M]+ 282.11295142 170.7
[M]- 282.11404858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.